[(2S,3R)-3-thiocyanatooctan-2-yl] ethanoate

Systemtic Name: [(2S,3R)-3-thiocyanatooctan-2-yl] ethanoate Openeye Name: [(1S,2R)-1-methyl-2-thiocyanato-heptyl] acetate CAS Name: acetic acid [(2S,3R)-3-thiocyanatooctan-2-yl] ester IUPAC Name: [(2S,3R)-3-thiocyanatooctan-2-yl] acetate Traditional Name: acetic acid [(1S,2R)-1-methyl-2-thiocyanato-heptyl] ester Formula: C11H19NO2S MolecularWeight: 229.33906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)OC(=O)C)SC#N

Isomeric SMILES

CCCCC[C@H]([C@H](C)OC(=O)C)SC#N

InChI

InChI=1S/C11H19NO2S/c1-4-5-6-7-11(15-8-12)9(2)14-10(3)13/h9,11H,4-7H2,1-3H3/t9-,11+/m0/s1